SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIQ_D_HFGD1002_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 VAL A 460
GLU A 193
HIS A 435
THR A 397
GLY A 221
 None
 1.32A 5xiqD-1aqlA:
undetectable		 5xiqD-1aqlA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 LEU A   4
VAL A 302
ARG A 133
PHE A 213
GLY A  43
 None
 1.34A 5xiqD-1azwA:
undetectable		 5xiqD-1azwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 GLU A 369
VAL A 368
PRO A 279
THR A 286
GLY A 287
 None
 1.06A 5xiqD-1cg4A:
undetectable		 5xiqD-1cg4A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eep INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00478
(IMPDH) 		5 LEU A 363
PRO A  44
PHE A 288
THR A  54
GLY A  69
 None
 1.32A 5xiqD-1eepA:
undetectable		 5xiqD-1eepA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		5 LEU A 324
GLU A 315
VAL A 317
ARG A 313
HIS A 213
 None
 1.14A 5xiqD-1f6dA:
3.7		 5xiqD-1f6dA:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLU A  90
ARG A 142
TRP A 158
THR A 228
GLY A 260
 None
 1.01A 5xiqD-1hc7A:
46.8		 5xiqD-1hc7A:
43.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		9 LEU A  77
PRO A 110
ARG A 142
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
GLY A 260
 None
 0.80A 5xiqD-1hc7A:
46.8		 5xiqD-1hc7A:
43.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 LEU A  91
GLU A 144
TRP A 158
GLU A 160
THR A 228
GLY A 260
 None
 1.07A 5xiqD-1hc7A:
46.8		 5xiqD-1hc7A:
43.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsd HAEMAGGLUTININ (HA1
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 233
VAL A 235
PRO A 244
HIS A 248
GLY A  63
 None
 1.23A 5xiqD-1jsdA:
undetectable		 5xiqD-1jsdA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLU A 150
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.82A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 GLU A 150
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.92A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		9 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.67A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 218
 None
 0.87A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 LEU A  83
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.85A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.27A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		6 LEU A  67
GLU A  80
VAL A  81
PRO A 100
PHE A 196
THR A 219
 None
 1.12A 5xiqD-1nj8A:
42.3		 5xiqD-1nj8A:
36.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		7 LEU A  67
VAL A  81
PRO A 100
GLU A 152
HIS A 154
THR A 219
GLY A 251
 None
 0.50A 5xiqD-1nj8A:
42.3		 5xiqD-1nj8A:
36.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		6 LEU A  67
VAL A  81
PRO A 100
HIS A 154
PHE A 196
THR A 219
 None
 0.96A 5xiqD-1nj8A:
42.3		 5xiqD-1nj8A:
36.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 VAL A  81
PRO A 100
GLU A 152
HIS A 154
PHE A 227
 None
 1.21A 5xiqD-1nj8A:
42.3		 5xiqD-1nj8A:
36.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 PRO A 333
ARG A 365
HIS A 387
THR A 488
GLY A 519
 None
TSB  A1002 (-2.5A)
ZN  A1001 ( 3.3A)
TSB  A1002 ( 4.5A)
TSB  A1002 ( 4.5A)
 0.75A 5xiqD-1nyqA:
27.5		 5xiqD-1nyqA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		5 LEU A   6
GLU A 306
VAL A 304
THR A  92
GLY A  93
 LEU  A   6 ( 0.6A)
GLU  A 306 ( 0.6A)
VAL  A 304 ( 0.6A)
THR  A  92 ( 0.8A)
GLY  A  93 ( 0.0A)
 1.16A 5xiqD-1omoA:
undetectable		 5xiqD-1omoA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 168
PHE A 161
GLU A 100
PRO A  97
GLY A  12
 None
SO4  A 322 (-4.6A)
None
None
None
 1.23A 5xiqD-1tltA:
2.9		 5xiqD-1tltA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 LEU A 103
PHE A  39
HIS A 149
THR A 185
GLY A 184
 None
 1.32A 5xiqD-1u5qA:
undetectable		 5xiqD-1u5qA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 LEU A  76
PHE A  13
VAL A  84
THR A 132
GLY A 295
 None
 1.21A 5xiqD-1u6zA:
undetectable		 5xiqD-1u6zA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 129
GLU A 443
HIS A 230
THR A 276
GLY A 441
 None
 1.30A 5xiqD-1v26A:
undetectable		 5xiqD-1v26A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 GLU C 670
VAL C 668
GLU C 621
HIS C 617
PHE C 895
 None
 1.33A 5xiqD-1wa5C:
undetectable		 5xiqD-1wa5C:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  82
VAL A  40
HIS A 128
THR A 170
GLY A 169
 None
 1.32A 5xiqD-1zltA:
undetectable		 5xiqD-1zltA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 122
VAL A 119
PRO A 124
PHE A 329
THR A 321
 None
 1.11A 5xiqD-2d3aA:
undetectable		 5xiqD-2d3aA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eu0 TYROSINE-PROTEIN
KINASE ITK/TSK

(Mus musculus) 		PF00017
(SH2) 		5 LEU A 101
VAL A  49
GLU A  68
THR A  41
GLY A  43
 None
 1.34A 5xiqD-2eu0A:
undetectable		 5xiqD-2eu0A:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 180
GLU A 483
VAL A 481
TRP A 572
HIS A 576
 None
 1.28A 5xiqD-2fjaA:
2.1		 5xiqD-2fjaA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 105
GLU A  92
PRO A 108
ARG A 140
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.5A)
 1.02A 5xiqD-2i4nA:
28.7		 5xiqD-2i4nA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		5 PHE A 124
VAL A 122
HIS A 163
THR A 140
GLY A 142
 None
None
CRQ  A  66 ( 3.9A)
None
None
 1.15A 5xiqD-2vadA:
undetectable		 5xiqD-2vadA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 311
VAL A 249
PRO A 272
THR A  95
GLY A  63
 None
 1.36A 5xiqD-2vr2A:
undetectable		 5xiqD-2vr2A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 LEU A 103
GLU A 149
VAL A 161
ARG A 162
GLY A 190
 None
 1.08A 5xiqD-2ywdA:
2.1		 5xiqD-2ywdA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 LEU A  30
VAL A 108
PRO A  97
THR A  58
GLY A  59
 None
 1.14A 5xiqD-3cdxA:
undetectable		 5xiqD-3cdxA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		5 GLU A 198
VAL A 197
HIS A 107
THR A 103
GLY A  86
 None
 1.11A 5xiqD-3fbqA:
undetectable		 5xiqD-3fbqA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 GLU L  60
PRO L  56
GLU L  87
HIS L  89
GLY L  84
 None
 1.25A 5xiqD-3g9kL:
undetectable		 5xiqD-3g9kL:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 112
GLU A 125
PRO A 145
ARG A 177
GLY A 264
 None
None
None
PR8  A 601 ( 4.3A)
PR8  A 601 (-3.5A)
 1.06A 5xiqD-3ialA:
43.2		 5xiqD-3ialA:
32.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 LEU A 112
GLU A 125
PRO A 145
ARG A 177
TRP A 194
GLU A 196
HIS A 198
GLY A 296
 None
None
None
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
 0.48A 5xiqD-3ialA:
43.2		 5xiqD-3ialA:
32.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 112
GLU A 196
HIS A 198
PHE A 241
GLY A 296
 None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 ( 4.1A)
PR8  A 601 (-3.4A)
 0.89A 5xiqD-3ialA:
43.2		 5xiqD-3ialA:
32.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 496
GLU A 510
VAL A 511
GLU A 517
GLY A 521
 None
 1.33A 5xiqD-3ib3A:
undetectable		 5xiqD-3ib3A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kio RIBONUCLEASE H2
SUBUNIT A
RIBONUCLEASE H2
SUBUNIT C

(Mus musculus;
Mus musculus) 		PF01351
(RNase_HII)
PF08615
(RNase_H2_suC) 		5 LEU A 221
PHE A 237
VAL A  41
GLU A 198
PHE C  47
 None
 1.07A 5xiqD-3kioA:
undetectable		 5xiqD-3kioA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 255
VAL A 261
HIS A 269
PHE A 119
GLY A 318
 None
 1.12A 5xiqD-3mduA:
undetectable		 5xiqD-3mduA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 LEU A 293
VAL A 255
PHE A 331
THR A 377
GLY A  54
 None
 1.19A 5xiqD-3mpgA:
undetectable		 5xiqD-3mpgA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 LEU A 247
GLU A 220
VAL A 219
PHE A 190
THR A 202
 None
 1.23A 5xiqD-3ndaA:
undetectable		 5xiqD-3ndaA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU B  25
VAL B  17
PRO B 194
PHE B   9
GLY B 234
 None
None
None
None
7MN  B   2 (-3.4A)
 1.26A 5xiqD-3pr2B:
undetectable		 5xiqD-3pr2B:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ri5 MOUSE MONOCLONAL FAB
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU K 106
GLU K  16
VAL K  18
GLU K 201
HIS K 200
 None
 1.21A 5xiqD-3ri5K:
undetectable		 5xiqD-3ri5K:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 PHE L 171
VAL L 176
GLU M 407
HIS M 322
THR M 401
 None
 1.12A 5xiqD-3rkoL:
undetectable		 5xiqD-3rkoL:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 LEU A 538
VAL A 530
ARG A 527
THR A 693
GLY A 689
 None
 1.34A 5xiqD-3slkA:
undetectable		 5xiqD-3slkA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 439
PRO A  45
PHE A 367
THR A  55
GLY A  70
 None
 1.31A 5xiqD-3tsdA:
undetectable		 5xiqD-3tsdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 525
VAL A 417
PRO A 481
THR A 499
GLY A 494
 None
 1.35A 5xiqD-3vueA:
2.2		 5xiqD-3vueA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 LEU A 224
PHE A   5
VAL A 216
THR A  47
GLY A 126
 None
 1.17A 5xiqD-3x2zA:
undetectable		 5xiqD-3x2zA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 117
GLU A 110
VAL A 108
ARG A 106
GLU A 127
 None
 1.24A 5xiqD-4beqA:
undetectable		 5xiqD-4beqA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 VAL A 405
PRO A 361
ARG A 362
GLU A 154
GLY A  96
 None
 1.33A 5xiqD-4czaA:
undetectable		 5xiqD-4czaA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d48 GLUCOSE-1-PHOSPHATE
URIDYLYLTRANSFERASE

(Erwinia
amylovora) 		PF00483
(NTP_transferase) 		5 VAL A 119
PRO A  14
GLU A  32
THR A  20
GLY A  19
 None
 1.26A 5xiqD-4d48A:
2.2		 5xiqD-4d48A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 PHE A 196
VAL A 202
PRO A 186
HIS A 242
GLY A  94
 None
 1.10A 5xiqD-4eb0A:
3.3		 5xiqD-4eb0A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 260
VAL A 266
HIS A 274
PHE A 124
GLY A 323
 None
 1.14A 5xiqD-4f0lA:
undetectable		 5xiqD-4f0lA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 425
PHE A 219
PRO A 251
TRP A 122
GLY A 139
 None
 1.32A 5xiqD-4f7kA:
undetectable		 5xiqD-4f7kA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 LEU A 343
GLU A 358
VAL A 349
THR A 326
GLY A 331
 None
 1.28A 5xiqD-4fn5A:
2.9		 5xiqD-4fn5A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 LEU A 239
PHE A 224
VAL A 144
PHE A 201
THR A 126
 None
 1.31A 5xiqD-4fvlA:
undetectable		 5xiqD-4fvlA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU B  76
PHE B  85
PRO B 128
ARG B 159
GLU B 176
 None
None
None
G5A  B 402 (-2.8A)
ZN  B 401 ( 2.3A)
 0.86A 5xiqD-4h2xB:
19.6		 5xiqD-4h2xB:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 LEU A 198
PHE A 191
GLU A 144
THR A 457
GLY A 480
 None
 1.20A 5xiqD-4idmA:
2.7		 5xiqD-4idmA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		5 LEU A 385
VAL A 332
PRO A 370
HIS A 375
GLY A 300
 None
 1.31A 5xiqD-4j7hA:
undetectable		 5xiqD-4j7hA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jgi PUTATIVE
UNCHARACTERIZED
PROTEIN

(Desulfitobacterium
hafniense) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 LEU A 173
VAL A 136
PRO A 141
PHE A 109
GLY A 117
 None
None
None
COB  A 301 (-3.6A)
None
 1.25A 5xiqD-4jgiA:
7.1		 5xiqD-4jgiA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mk3 GLUTATHIONE
S-TRANSFERASE

(Cupriavidus
metallidurans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLU A  21
VAL A  18
PHE A 186
THR A 146
GLY A 150
 None
 1.25A 5xiqD-4mk3A:
undetectable		 5xiqD-4mk3A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 284
VAL A 294
PRO A 464
THR A 437
GLY A 439
 None
 1.09A 5xiqD-4mz0A:
undetectable		 5xiqD-4mz0A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv4 SIGNAL PEPTIDASE I

(Bacillus
anthracis) 		PF00717
(Peptidase_S24) 		5 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.29A 5xiqD-4nv4A:
undetectable		 5xiqD-4nv4A:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		6 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.21A 5xiqD-4op4A:
undetectable		 5xiqD-4op4A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 LEU B 414
GLU B 446
VAL B 445
ARG B 443
GLU B 436
 None
 1.24A 5xiqD-4peqB:
undetectable		 5xiqD-4peqB:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 135
PHE A 144
ARG A 277
GLU A 296
GLY A 406
 None
None
AMP  A 701 (-2.9A)
None
AMP  A 701 (-4.0A)
 1.22A 5xiqD-4qeiA:
23.9		 5xiqD-4qeiA:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 135
PRO A 244
ARG A 277
GLU A 296
GLY A 406
 None
None
AMP  A 701 (-2.9A)
None
AMP  A 701 (-4.0A)
 1.00A 5xiqD-4qeiA:
23.9		 5xiqD-4qeiA:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rqu ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 321
VAL A 295
GLU A  70
THR A 146
GLY A  68
 None
None
ZN  A 401 ( 4.5A)
None
None
 1.36A 5xiqD-4rquA:
undetectable		 5xiqD-4rquA:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 GLU A 392
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510
 ANP  A 801 (-3.6A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-3.7A)
 1.32A 5xiqD-4ydqA:
52.7		 5xiqD-4ydqA:
65.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		11 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-3.7A)
 0.37A 5xiqD-4ydqA:
52.7		 5xiqD-4ydqA:
65.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		11 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
PHE A 454
THR A 478
GLY A 510
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 ( 4.9A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-3.7A)
 0.66A 5xiqD-4ydqA:
52.7		 5xiqD-4ydqA:
65.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 325
PHE A 335
GLU A 338
VAL A 339
THR A 460
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
None
 1.34A 5xiqD-4ydqA:
52.7		 5xiqD-4ydqA:
65.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 697
PHE A 667
GLU A 679
THR A 653
GLY A 652
 None
None
A  B   7 ( 3.6A)
None
G  B   8 ( 4.6A)
 1.18A 5xiqD-4z0cA:
undetectable		 5xiqD-4z0cA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		5 LEU A 444
PHE A 463
VAL A 461
THR A 305
GLY A 307
 None
 1.10A 5xiqD-5ao5A:
undetectable		 5xiqD-5ao5A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		5 LEU A  98
VAL A 137
PRO A 125
THR A 317
GLY A  26
 None
 1.35A 5xiqD-5c9lA:
undetectable		 5xiqD-5c9lA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 562
VAL A 612
PRO A 628
PHE A 669
GLY A 636
 None
 1.18A 5xiqD-5cioA:
undetectable		 5xiqD-5cioA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 LEU B  21
VAL B  13
PRO B 191
PHE B   5
GLY B 231
 None
None
None
None
PLP  B 501 (-3.3A)
 1.26A 5xiqD-5ey5B:
undetectable		 5xiqD-5ey5B:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 VAL A 431
PRO A 429
TRP A 427
PHE A  60
GLY A  78
 None
 1.00A 5xiqD-5gkqA:
undetectable		 5xiqD-5gkqA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzm TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00291
(PALP) 		5 LEU B  24
VAL B  16
PRO B 193
PHE B   8
GLY B 233
 None
None
None
None
LLP  B  86 ( 3.1A)
 1.27A 5xiqD-5kzmB:
undetectable		 5xiqD-5kzmB:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 322
PHE A 371
GLU A 490
THR A 498
GLY A 497
 None
 1.27A 5xiqD-5lp4A:
undetectable		 5xiqD-5lp4A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m95 DIVALENT METAL
CATION TRANSPORTER
MNTH

(Staphylococcus
capitis) 		PF01566
(Nramp) 		5 LEU A 274
GLU A 186
VAL A 184
THR A 286
GLY A 285
 None
 1.25A 5xiqD-5m95A:
undetectable		 5xiqD-5m95A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5j 30S RIBOSOMAL
PROTEIN S5
30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis;
Mycolicibacterium
smegmatis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C)
PF00410
(Ribosomal_S8) 		5 LEU H 101
GLU E 176
VAL E 178
ARG E 174
GLY E  69
 None
 0.99A 5xiqD-5o5jH:
undetectable		 5xiqD-5o5jH:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 GLU A 389
VAL A 388
PRO A 398
THR A 170
GLY A 394
 None
 1.31A 5xiqD-5omsA:
undetectable		 5xiqD-5omsA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		10 LEU A1087
GLU A1100
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
GLY A1274
 None
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
 0.76A 5xiqD-5vadA:
49.6		 5xiqD-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1222
 None
 1.12A 5xiqD-5vadA:
49.6		 5xiqD-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		10 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
GLY A1274
 None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
 0.90A 5xiqD-5vadA:
49.6		 5xiqD-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1248
 None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
None
 1.33A 5xiqD-5vadA:
49.6		 5xiqD-5vadA:
55.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 7 GLU A 472
ARG A 470
TRP A 487
GLU A 489
HIS A 491
THR A 558
GLY A 590
 ANP  A1001 (-3.4A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 ( 4.2A)
 1.27A 5xiqD-5xiiA:
56.3		 5xiqD-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 12 LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
GLY A 590
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 ( 4.2A)
 0.27A 5xiqD-5xiiA:
56.3		 5xiqD-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 LEU A 405
PHE A 415
GLU A 418
VAL A 419
THR A 540
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
None
 1.16A 5xiqD-5xiiA:
56.3		 5xiqD-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 6 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 512
 None
 0.52A 5xiqD-5xilA:
47.3		 5xiqD-5xilA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 7 GLU A 364
ARG A 362
TRP A 379
GLU A 381
HIS A 383
THR A 450
GLY A 482
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
 1.35A 5xiqD-5xioA:
51.5		 5xiqD-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 12 LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
GLY A 482
 None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
 0.59A 5xiqD-5xioA:
51.5		 5xiqD-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 7 GLU A 392
ARG A 390
TRP A 407
GLU A 409
HIS A 411
THR A 478
GLY A 510
 ANP  A1001 (-3.8A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 1.17A 5xiqD-5xipA:
53.0		 5xiqD-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 12 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510
 None
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 0.47A 5xiqD-5xipA:
53.0		 5xiqD-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxu RIBOSOMAL PROTEIN
US3
RIBOSOMAL PROTEIN
ES10

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2)
PF03501
(S10_plectin) 		5 PHE K  75
GLU D  70
ARG D  67
GLU D  33
GLY D  35
 None
 1.15A 5xiqD-5xxuK:
undetectable		 5xiqD-5xxuK:
14.40